In silico Binding Prediction of Mitragyna speciosa Alkaloids to Human Opioid Receptors

Kratom (Mitragyna speciosa), a tropical tree native to Southeast Asia, is traditionally used for its stimulant and sedative effects, which vary with dosage. The primary alkaloids, mitragynine, and 7-hydroxymitragynine, are known for their significant pharmacological activities, especially in pain management, making kratom a subject of growing scientific interest and legal debate.

This study aims to bridge knowledge gaps by investigating the interactions of 35 distinct kratom alkaloids with the human mu (MOR), delta (DOR), and kappa (KOR) opioid receptors. These receptors are crucial in modulating pain, mood, and addictive behaviors. Using molecular docking, the binding affinities and receptor selectivity of these alkaloids were explored, shedding light on their pharmacological potential. The aim is to identify the promising kratom alkaloids for the future development of better drugs for pain management and disease treatments.